3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile

C26H38N4O — CID 130200959

IUPAC3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)C#N)C(=O)N2CC1CCC1
InChIInChI=1S/C26H38N4O/c1-24(2,18-27)19-29-20-25(30(23(29)31)17-21-9-8-10-21)13-15-26(16-14-25,28(3)4)22-11-6-5-7-12-22/h5-7,11-12,21H,8-10,13-17,19-20H2,1-4H3
InChIKeyASDIZASGULKCQQ-UHFFFAOYSA-N
MW422.62 g/mol
LogP4.84
Rot. Bonds6

About 3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile

3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile (PubChem CID 130200959) has the molecular formula C26H38N4O and a molecular weight of 422.62 g/mol. Its IUPAC name is 3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile.

Molecular Properties

Compound Name3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile
PubChem CID130200959
Molecular FormulaC26H38N4O
Molecular Weight422.62 g/mol
Exact Mass422.30
IUPAC Name3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)C#N)C(=O)N2CC1CCC1
InChIInChI=1S/C26H38N4O/c1-24(2,18-27)19-29-20-25(30(23(29)31)17-21-9-8-10-21)13-15-26(16-14-25,28(3)4)22-11-6-5-7-12-22/h5-7,11-12,21H,8-10,13-17,19-20H2,1-4H3
InChIKeyASDIZASGULKCQQ-UHFFFAOYSA-N
XLogP4.84
TPSA50.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.62
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile?
The IUPAC name of 3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile (CID 130200959) is 3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile.
What is the SMILES notation for 3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile?
The canonical SMILES for 3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)C#N)C(=O)N2CC1CCC1.
What is the InChIKey of 3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile?
The InChIKey is ASDIZASGULKCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O/c1-24(2,18-27)19-29-20-25(30(23(29)31)17-21-9-8-10-21)13-15-26(16-14-25,28(3)4)22-11-6-5-7-12-22/h5-7,11-12,21H,8-10,13-17,19-20H2,1-4H3.
What are the key properties of 3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile?
3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile has a molecular weight of 422.62 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile is sourced from PubChem (CID 130200959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).